Compound Detail
CHEMBL473989
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL473989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMLMIMPHMVMBOS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
5.83
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.23 | 7.29 | 5.9 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.68 | 7.68 | 20.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5.9 | nM | 8.23 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membrane | 18440098 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 20.8 | nM | 7.68 | Displacement of [3H] (+)-pentazocine from sigma 1 receptor in rat liver homogena... | 18069094 |
| Unchecked | Ki | = | 444.3 | nM | 6.35 | Displacement of [3H]DTH from sigma 2 receptor in rat liver homogenate in presenc... | 18069094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18069094 | 10.1016/j.ejmech.2007.09.012 | Unchecked | 3 |
| 18440098 | 10.1016/j.ejmech.2008.03.011 | Unchecked | 2 |
| 18069094 | 10.1016/j.ejmech.2007.09.012 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine